# generated using pymatgen
data_Mg2Cr3NiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16646303
_cell_length_b   7.16586040
_cell_length_c   7.18333441
_cell_angle_alpha   59.95744222
_cell_angle_beta   59.94300775
_cell_angle_gamma   60.13160649
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Cr3NiS8
_chemical_formula_sum   'Mg2 Cr3 Ni1 S8'
_cell_volume   260.90750554
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.87538400  0.87527500  0.87559500  1.0
  Mg  Mg1  1  0.12462200  0.12469400  0.12445100  1.0
  Cr  Cr2  1  0.49999200  0.50000500  0.99995800  1.0
  Cr  Cr3  1  0.99999200  0.50000000  0.50002300  1.0
  Cr  Cr4  1  0.50000300  0.00000900  0.50002800  1.0
  Ni  Ni5  1  0.49997600  0.50012100  0.49985400  1.0
  S  S6  1  0.73730700  0.73735400  0.73702800  1.0
  S  S7  1  0.26803000  0.26798000  0.70514100  1.0
  S  S8  1  0.26660000  0.70620500  0.26654800  1.0
  S  S9  1  0.70593100  0.26706300  0.26704900  1.0
  S  S10  1  0.73340000  0.29377600  0.73346200  1.0
  S  S11  1  0.29408100  0.73289600  0.73297100  1.0
  S  S12  1  0.26269000  0.26261200  0.26301800  1.0
  S  S13  1  0.73199600  0.73200500  0.29487600  1.0